1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-
Basic information
- CAS
112767-81-4- Standard SMILES
CC[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1.[Cl-]- InChIKey
JUNPRUKHHLAGSQ-RFVHGSKJSA-N- Molecular formula
- C13H22ClNO3
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1288213
Names & identifiers
- Preferred name
- 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (S)-
- IUPAC
- (3,4-dimethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium chloride
Names & synonyms
1-BUTANOL, 2-(((3,4-DIMETHOXYPHENYL)METHYL)AMINO)-, HYDROCHLORIDE, (S)-112767-81-4RefChem:1055096(S)-2-(((3,4-Dimethoxyphenyl)methyl)amino)-1-butanol hydrochloride
Database identifiers
- CAS
112767-81-4- PubChem CID
- 60569
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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